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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15668 447099 1 O2N5C15H19 A2B5C15D19 -15.74 5.92 -7.96 -0.3 0
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15669 447101 1 N12O17C48H68 A12B17C48D68 -620.18 11.2 -8.78 -1.8 0
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15670 447102 1 VP2N5C10O12H19 AB2C5D10E12F19 -648.78 7.53 0.0 0.0 0
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15671 447114 1 FeN4O5C35H36 AB4C5D35E36 -105.2 12.28 -7.52 -1.02 -4
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15672 447118 1 FeN4O6C34H37 AB4C6D34E37 -114.13 9.47 0.0 0.0 1
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15673 447119 1 FeN4O4C34H40 AB4C4D34E40 64.99 4.27 -7.35 -0.76 -4
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15674 447120 1 N4O4C33H40 A4B4C33D40 173.38 9.58 -7.33 -0.88 0
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15675 447160 2 N7O7C20H28 A7B7C20D28 -577.2 20.05 -8.71 -0.44 0
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15676 447223 1 C3O4H9 A3B4C9 -140.3 2.56 0.0 0.0 -1
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15677 447227 1 SN2O4C11H20 AB2C4D11E20 -189.91 5.99 -8.95 -0.15 0
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15678 447235 1 NO4C20H22 AB4C20D22 -64.38 3.19 0.0 0.0 1
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15679 447263 1 CoPN13O14C62H92 ABC13D14E62F92 -504.83 60.03 0.0 0.0 -4
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15680 447264 1 P5N25O36C50H62 A5B25C36D50E62 -1551.29 5.37 -9.4 -1.37 0
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15681 447266 1 N2O22C51H72 A2B22C51D72 -887.6 2.96 -8.11 -1.35 0
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15683 447291 1 P2S2N8O13C19H22 A2B2C8D13E19F22 -513.7 11.88 -9.34 -2.47 -2
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15684 447295 1 ClCu2 AB2 43.38 3.92 0.0 0.0 0
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15685 447343 2 C3O3H5 A3B3C5 -252.46 2.14 -10.37 -0.1 0
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15686 447367 1 O3H5 A3B5 -114.73 1.27 0.0 0.0 -1
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15687 447374 1 FeN4O5H34C35 AB4C5D34E35 -93.69 10.61 -8.04 -1.57 1
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15688 447375 1 S3N17O20C53H80 A3B17C20D53E80 -783.71 9.99 0.0 0.0 1
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15689 447393 2 SN2O3C13H15 AB2C3D13E15 -159.28 5.68 -9.18 -1.08 0
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15690 447396 1 IN2O4C23H27 AB2C4D23E27 -129.82 4.79 -9.08 -0.94 0
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15691 447397 1 ClO2N6C27H33 AB2C6D27E33 4.08 2.04 -8.98 -1.26 0
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15692 447399 1 NS2O4C7H11 AB2C4D7E11 -174.61 4.99 -9.74 -0.87 0
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15693 447409 1 ClO3H11C16 AB3C11D16 -64.93 3.19 -8.72 -0.94 0
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15694 447410 1 N3O10H37C40 A3B10C37D40 -321.27 9.71 -9.21 -1.27 0
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15695 447413 2 N2O2C3H7 A2B2C3D7 -113.25 2.94 -9.33 0.71 0
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15696 447414 2 OC5H8 AB5C8 -101.8 2.04 -9.73 0.69 0
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15697 447416 1 P2N6O19C30H40 A2B6C19D30E40 -956.24 6.38 -9.78 -0.75 0
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15698 447417 1 N3O7C36H41 A3B7C36D41 -248.04 3.88 -8.86 0.11 0
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15699 447440 1 SO5N7C23H37 AB5C7D23E37 -213.34 4.02 -9.31 -0.24 0
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15700 447441 1 N3O5C17H33 A3B5C17D33 -274.35 1.05 -9.61 0.53 0
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15701 447550 1 PC3H7O7 AB3C7D7 -364.49 3.57 -10.98 -0.68 0
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15702 447580 1 SO4N6C14H20 AB4C6D14E20 -96.95 6.08 -9.07 -0.55 0
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15703 447625 1 N11O11C52H79 A11B11C52D79 -497.59 11.38 -9.07 -0.77 0
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15704 447689 1 SN3O5C13H13 AB3C5D13E13 -135.81 4.1 -9.41 -1.37 0
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15705 447706 1 ON2C5H12 AB2C5D12 -57.01 3.04 -9.3 2.24 0
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15706 447718 1 O3C24H40 A3B24C40 -198.15 3.79 -9.94 0.58 0
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15707 447727 1 P2C5O9H14 A2B5C9D14 -546.17 2.25 -10.51 -0.19 0
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15708 447728 1 MgF3 AB3 -115.64 3.4 0.0 0.0 -1
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15709 447729 1 NSO4C16H19 ABC4D16E19 -131.14 3.87 -9.11 -0.9 0
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15710 447730 1 C3N3O3H11 A3B3C3D11 -147.22 0.85 -10.05 1.84 0
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15711 447779 1 P4N7C20O20H29 A4B7C20D20E29 -1069.28 5.08 -9.36 -0.96 0
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15712 447821 1 O2N3C13H13 A2B3C13D13 20.17 6.05 -7.94 -1.86 0
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15713 447852 1 SN2O3C8H16 AB2C3D8E16 -158.84 4.41 -9.31 -0.01 0
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15714 447889 1 SO3N4C22H28 AB3C4D22E28 -73.49 7.64 -9.46 -0.53 0
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15715 447893 1 PN3O7C24H46 AB3C7D24E46 -447.63 4.78 -9.5 0.58 0
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15716 447894 1 PN3O8C30H50 AB3C8D30E50 -465.96 5.72 -9.56 -0.12 0
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15717 447895 1 PN3O9C29H40 AB3C9D29E40 -433.3 5.11 -9.64 -0.33 0
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15718 447897 1 N4O5C55H78 A4B5C55D78 -164.98 4.02 -7.88 -0.78 0
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15719 447906 1 ON4C6H20 AB4C6D20 -71.4 3.0 -9.01 1.46 0
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15720 447908 1 O3N6C10H25 A3B6C10D25 -89.57 4.09 0.0 0.0 1
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15721 447909 1 N3O3C7H13 A3B3C7D13 -113.0 5.74 -9.46 0.38 0
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15722 447934 2 N2O5C13H18 A2B5C13D18 -455.41 6.26 -8.97 -0.31 0
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15723 447935 1 N7O13C31H45 A7B13C31D45 -605.48 11.69 -8.91 -0.53 0
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15724 448021 1 P2N3F4O6H25C29 A2B3C4D6E25F29 -432.38 5.91 -9.49 -0.76 0
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15725 448028 1 PC5O7H13 AB5C7D13 -389.12 2.88 -10.5 0.29 0
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15726 448079 1 SN3O7C15H25 AB3C7D15E25 -327.51 6.92 -9.67 -0.96 0
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15727 448090 1 S2N11O11C45H56 A2B11C11D45E56 -314.24 13.88 0.0 0.0 1
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15728 448127 1 PN13O13C44H72 AB13C13D44E72 -638.32 22.16 -9.25 -0.18 0
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15729 448149 1 SC6O6H13 AB6C6D13 -285.83 2.18 0.0 0.0 1
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15730 448227 1 PF2N7O15C32H46 AB2C7D15E32F46 -843.23 11.76 -10.15 -0.8 0
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15731 448241 1 SN4O5C33H34 AB4C5D33E34 -30.66 8.07 -8.24 -1.46 0
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15732 448289 1 O2C25H26 A2B25C26 -37.1 5.11 -9.31 -0.01 0
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15733 448307 1 N5O6C21H23 A5B6C21D23 -206.25 12.76 -8.84 -0.72 0
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15734 448331 1 FP2C10O14H17 AB2C10D14E17 -800.59 2.48 -10.69 -0.76 0
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15735 448401 1 N4O6C55H80 A4B6C55D80 -168.36 5.0 -7.88 -0.61 0
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15736 448440 1 PO10C38H73 AB10C38D73 -634.05 4.4 -9.71 -0.05 0
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15737 448500 1 O2C43H80 A2B43C80 -250.12 3.41 -8.28 0.17 0
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15738 448801 1 N2P2C15O17H24 A2B2C15D17E24 -866.94 3.75 -10.1 -0.75 0
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15739 448807 1 P3C5H13O13 A3B5C13D13 -770.27 4.35 -10.34 -0.32 0
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15740 448853 1 N11O13C37H55 A11B13C37D55 -576.03 14.36 -9.16 -0.69 0
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15741 448985 1 NO3C6H11 AB3C6D11 -150.76 6.31 -10.25 0.32 0
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15742 449101 1 NO4C5H11 AB4C5D11 -152.07 4.81 -9.78 0.81 0
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15743 449174 1 NO14C40H53 AB14C40D53 -599.04 3.85 -7.73 -0.89 0
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15744 449211 1 SN2O8C19H22 AB2C8D19E22 -285.79 5.77 -8.93 -1.02 0
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15745 449262 1 PN9O14C36H50 AB9C14D36E50 -687.86 9.71 -8.91 -0.57 0
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15746 449286 1 MgO5H7 AB5C7 -267.37 1.99 0.0 0.0 -1
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15748 449288 1 NaO6H12 AB6C12 -335.59 1.64 0.0 0.0 1
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15749 449393 1 PN10O12C20H25 AB10C12D20E25 -434.85 21.15 -9.13 -1.0 0
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15750 449427 1 MgO5H6 AB5C6 -223.5 1.93 -10.76 -0.52 -2
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15751 449466 1 S2N9O10C27H41 A2B9C10D27E41 -369.75 7.42 -9.74 -1.7 0
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15752 449470 1 C3O3H8 A3B3C8 -153.23 1.9 -10.59 1.62 0
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15753 449486 1 O2S2N5C13H15 A2B2C5D13E15 -0.18 3.95 -9.16 -1.21 0
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15754 449510 1 F2N4O6C25H36 A2B4C6D25E36 -386.2 2.44 -9.37 0.01 0
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15755 449522 1 N3O33C42H65 A3B33C42D65 -1443.99 7.87 -9.6 -0.19 0
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15756 449526 1 PC6O9H13 AB6C9D13 -472.24 2.22 -10.56 0.21 0
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15757 449585 1 BrNSCl2O2C14H16 ABCD2E2F14G16 -54.15 5.47 -9.1 -0.24 0
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15758 449614 1 PC5O5H11 AB5C5D11 -294.92 6.92 -10.56 0.75 0
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15759 449650 1 IN2O3C16H23 AB2C3D16E23 -87.49 5.3 -8.51 -0.98 0
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15760 449668 1 N2O3C16H22 A2B3C16D22 -121.15 5.79 -8.93 -1.01 0
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15761 449669 1 NaTcS2O9N11C29H34 ABC2D9E11F29G34 -95.56 35.37 0.0 0.0 1
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15762 449708 1 FO2C20H29 AB2C20D29 -121.76 5.58 -8.84 -0.43 0
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15763 449712 1 IO3C21H27 AB3C21D27 -111.77 1.61 -8.82 -0.82 0
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15764 449715 1 FO2C20H23 AB2C20D23 -18.13 1.07 -8.81 -0.17 0
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15765 449716 1 FO3C21H25 AB3C21D25 -132.24 2.27 -8.57 0.51 0
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15766 449850 1 FINO2C18H23 ABCD2E18F23 -110.31 2.13 -9.07 -0.89 0
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15767 450010 1 N2O4C11H14 A2B4C11D14 -139.75 8.04 -10.38 -0.61 0
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15768 450026 1 TcO20N24C46H72 AB20C24D46E72 -24.01 4.59 0.0 0.0 8
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15770 450256 1 NP2O6C7H11 AB2C6D7E11 -343.77 5.58 -9.08 -0.03 0